(2S)-2-[[5-(3-cyclopentylpropoxy)-2-oxidanyl-4-oxidanylidene-chromen-3-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[5-(3-cyclopentylpropoxy)-2-oxidanyl-4-oxidanylidene-chromen-3-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[5-(3-cyclopentylpropoxy)-2-hydroxy-4-oxo-chromene-3-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[5-(3-cyclopentylpropoxy)-2-hydroxy-4-oxo-1-benzopyran-3-yl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[5-(3-cyclopentylpropoxy)-2-hydroxy-4-oxochromene-3-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[5-(3-cyclopentylpropoxy)-2-hydroxy-4-keto-chromene-3-carbonyl]amino]propionic acid Formula: C21H25NO7 MolecularWeight: 403.4257

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=C(OC2=C(C1=O)C(=CC=C2)OCCCC3CCCC3)O

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C1=C(OC2=C(C1=O)C(=CC=C2)OCCCC3CCCC3)O

InChI

InChI=1S/C21H25NO7/c1-12(20(25)26)22-19(24)17-18(23)16-14(9-4-10-15(16)29-21(17)27)28-11-5-8-13-6-2-3-7-13/h4,9-10,12-13,27H,2-3,5-8,11H2,1H3,(H,22,24)(H,25,26)/t12-/m0/s1